The multiscale laboratory is focused in the range of physical phenomena produced by the interplay of different scales, for instance between single molecules and collection of them (mesoscale). Multiscalelab is hosted at the Barcelona Biomedical Research Park (PRBB).
We study macromolecule dynamics and energetics using mainly accelerated processors (Graphics processing units (GPUs) http://www.gpugrid.net) and the accelerated molecular dynamics program ACEMD. The simulation of proteins can directly increase our knowledge on the molecular mechanisms of a biological activity and help experimental scientists to understand an experiment from a molecular, more fundamental point of view.
Job openings
Check this page for job offers within this group.
Highlights
- We acknowledge support from Acellera Ltd.
- We acknowledge support from AMD Corporation.
ACEMD molecular dynamics on GPUs ACEMD
Nvidia press release on GPUGRID.net: "NVIDIA CUDA Technology Dramatically Advances The Pace Of Scientific Research"http://www.nvidia.com/object/io_1229516081227.html
Watch the new photo gallery in GPUGRID.net http://www.gpugrid.net/gallery.php
Note of Science on ps3grid.net http://www.sciencemag.org/cgi/content/long/321/5895/1425b
- We acknowledge support from Sony Computer Entertainment.
- We acknowledge support from Nvidia Corporation.
Teaching
* Material for the Molecular Simulation course given as part of the UPF Masters in Bioinformatics for Health Sciences